CAS 1001500-73-7

Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate

Description:

Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a bromine substituent at the 4-position and two methyl groups at the 3 and 5 positions of the pyrazole ring, contributing to its unique chemical properties. The presence of the propanoate group indicates that it is an ester, which typically enhances its reactivity and solubility in organic solvents. The bromine atom introduces electrophilic characteristics, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in agrochemicals or as a building block in organic synthesis. As with many halogenated compounds, it is important to handle it with care due to potential toxicity and environmental impact.

Formula: C₉H₁₃BrN₂O₂

InChI: InChI=1S/C9H13BrN2O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5H2,1-3H3

InChI key: InChIKey=ATDKDNJRUBWAGH-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)N1C(C)=C(Br)C(C)=N1

Synonyms:

• Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate
• 1H-Pyrazole-1-propanoic acid, 4-bromo-3,5-dimethyl-, methyl ester